>compound 2-Mercaptoethanesulfonic acid_2-Mercaptoethanesulfonic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C2H6O3S2
#smiles SCCS(O)(=O)=O
#RECORD LC-ESI-QTOF_train_data/PR100753.txt
>charge -1
>ionization [M-H]-
>parentmass 140.96804

>collision 5-60
79.9579 57.32
80.9661 668.9
140.9015 16.62
140.968 316.3

